Subject: FlexX help needed

From: Pearl Zheng <[email-masked]>
Date: Tue, 21 May 2002 14:40:20 -0500 (CDT)

Hi dear CCL users,

I am using sybyl FlexX to docking a small molecule to the active site of 
an enzyme. But the assignment of formal charges automatically by FlexX 
only works well in simple case. My question is how can I assign formal 
charge by myself. The second question is can I use Gasteiger-Huckel 
charges while doing FlexX?

All response are appreciated.

   ---Mingzhu